SCHEMBL1072575

SCHEMBL1072575

C=CC(C)(C)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.48
LMNA P02545 1/20 0.48
TRPA1 O75762 1/20 0.42
CYP1A2 P05177 2/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
MAOB P27338 1/20 0.37
FDPS P14324 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CALM1 P0DP23 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6478581 0.80 IDO1 (0.39) SLC6A2TAAR1CYP2C9CYP2C19ALDH1A1
SCHEMBL3442931 0.79 TAAR1 (0.45) SLC6A2TAAR1CYP2C9CYP2C19ALDH1A1
SCHEMBL9427318 0.79 SLC6A2 (0.54) SLC6A2TAAR1CYP2C9CYP2C19ALDH1A1
SCHEMBL18230874 0.78 SLC6A4 (0.55) SLC6A2TAAR1CYP2C9CYP2C19ALDH1A1
SCHEMBL25306760 0.78 THRA (0.34) SLC6A2TAAR1CYP2C9CYP2C19ALDH1A1
SCHEMBL6569517 0.78 CYP2C9 (0.50) SLC6A2TAAR1CYP2C9CYP2C19ALDH1A1
SCHEMBL5419014 0.78 AOC3 (0.41) SLC6A2TAAR1CYP2C9CYP2C19ALDH1A1
SCHEMBL96457 0.77 TAAR1 (0.52) SLC6A2TAAR1CYP2C9CYP2C19ALDH1A1
SCHEMBL8900699 0.77 SLC6A2 (0.52) SLC6A2TAAR1CYP2C9CYP2C19ALDH1A1
SCHEMBL1072823 0.77 ALDH1A1 (0.32) SLC6A2TAAR1CYP2C9CYP2C19ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3618798-A1 COMPOSITION FOR ODOUR IMPROVEMENT Symrise AG (DE) 2020-03-11 EP claimed
EP-1948773-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS Henkel AG & Co. KGaA (DE) 2008-07-30 EP claimed
WO-2007054177-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS HENKEL AG & CO. KGAA (DE) 2007-05-18 WO claimed
WO-2024099911-A1 IRON CARBONYL COMPLEXES WITH CHIRAL, BIDENTATE BIPHOSPHINE LIGANDS BASF SE (DE) 2024-05-16 WO disclosed
US-RE49036-E1 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2022-04-19 US disclosed
EP-3489213-B1 COMPOSITION FOR USE IN A METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2021-04-28 EP disclosed
EP-3489213-A1 COMPOSITION FOR USE IN A METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2019-05-29 EP disclosed
US-10301244-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2019-05-28 US disclosed
EP-3233778-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2019-02-20 EP disclosed
US-20180244598-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2018-08-30 US disclosed
US-9975837-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2018-05-22 US disclosed
US-20080269528-A1 Method for the Production of Optically Active Carbonyl BASF AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes BASF AKTIENGESELLSCHAFT (DE) 2008-10-02 US disclosed
EP-1913007-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2008-04-23 EP disclosed
EP-1802561-A1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2007-07-04 EP disclosed
WO-2007012655-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2007-02-01 WO disclosed
WO-2006040096-A1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2006-04-20 WO disclosed
EP-0583429-A1 HIGHLY REACTIVE FORM OF COPPER AND REAGENTS THEREOF Board of Regents of the University of Nebraska (US) 1994-02-23 EP disclosed
EP-0222296-B1 CO-EXTRUDED BIAXIALLY ORIENTED MULTILAYER FILM HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-11 EP disclosed
EP-0222296-A2 Co-extruded biaxially oriented multilayer film HOECHST AKTIENGESELLSCHAFT (DE) 1987-05-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180244598-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS CBR3, CBR1, HRH4 SLC6A2 2627/4885TAAR1 958/4885CYP2C9 1043/4885
US-10301244-B2 Method for synthesizing optically active carbonyl compounds CBR3, CBR1, HRH4 SLC6A2 2627/4885TAAR1 958/4885CYP2C9 1043/4885
US-20080269528-A1 Method for the Production of Optically Active Carbonyl CBR1, CBR3, HMOX1 SLC6A2 4730/4885TAAR1 2163/4885CYP2C9 715/4885
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes PHOSPHO1, DCTPP1, DCPS SLC6A2 4036/4885TAAR1 4020/4885CYP2C9 1344/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.